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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 38, 2023 - Issue 1
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Research Paper

Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors

Tarfah Al-Warhia Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia
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Ahmed A. Al-Karmalawyb Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, Giza, EgyptCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-8173-6073
ORCID Icon,
Ayman Abo Elmaatyc Department of Medicinal Chemistry, Faculty of Pharmacy, Port Said University, Port Said, Egypt
,
Maha A. Alshubramyd Department of Chemistry, College of Science, Qassim University, Buraydah, Saudi Arabia
,
Marwa Abdel-Motaald Department of Chemistry, College of Science, Qassim University, Buraydah, Saudi Arabia;e Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt
,
Taghreed A. Majrashif Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha, Saudi Arabia
,
Medhat Asemg College of Engineering and Information Technology, Onaizah Colleges, Al-Qassim, Saudi Arabia
,
Ahmed Nabilh Research Center for Functional Materials, National Institute for Materials Science (NIMS), Tsukuba, Japan;i Biotechnology and Life Sciences Department, Faculty of Postgraduate Studies for Advanced Sciences (PSAS), Beni-Suef University, Beni-Suef, Egypt
,
Wagdy M. Eldehnaj Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt;k School of Biotechnology, Badr University in Cairo, Badr City, EgyptCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-6996-4017
ORCID Icon &
Marwa Sharakyl Cancer Biology Department, Pharmacology Unit, National Cancer Institute (NCI), Cairo University, Cairo, Egypt
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Pages 176-191 | Received 30 Aug 2022, Accepted 07 Oct 2022, Published online: 01 Nov 2022

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Ahmed A Gaber, Marwa Sharaky, Ayman Abo Elmaaty, Mohamed M Hammouda, Ahmed AE Mourad, Samy Y Elkhawaga, Mahmoud Mohamed Mokhtar, Amr S Abouzied, Mai AE Mourad & Ahmed A Al-Karmalawy. (2023) Design and Synthesis of Novel Pyrazolopyrimidine Candidates As Promising EGFR-T790M Inhibitors and Apoptosis Inducers. Future Medicinal Chemistry 15:19, pages 1773-1790.
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Elsayed H. Eltamany, Shrouk M. Shaban, Ahmed T.A. Boraei, Emad M.A. Gad & Mohamed S. Nafie. (2024) Synthesis of novel cyanopyridine compounds as potential EGFR inhibitors targeting A549 and PC3 cancer cell lines: In vitro, In vivo and ADME pharmacokinetics studies. Journal of Molecular Structure 1306, pages 137906.
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Fatima S. Mehdhar, Ali Saeed, Ehab Abdel‐Latif, Ebrahim Abdel‐Galil, Ali El‐Rayyes & Ghada E. Abdel‐Ghani. (2024) Synthesis, Biological Evaluation, and Docking Study of a New Series of Thiophene Derivatives Based on 3‐Oxobutanamidothiophene as an Anticancer Agent. ChemistrySelect 9:18.
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Eman S. Tantawy, Mohamed S. Nafie, Hesham A. Morsy, Hassan A. El-Sayed, Ahmed H. Moustafa & Samar M. Mohammed. (2024) Synthesis of novel bioactive pyrido[2,3- d ]pyrimidine derivatives with potent cytotoxicity through apoptosis as PIM-1 kinase inhibitors . RSC Advances 14:16, pages 11098-11111.
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Nilesh Raghunath Khedkar, Milind Sindkhedkar & Alex Joseph. (2024) Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl)oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFRWT and EGFRT790M with ADMET Profiling. Bioorganic Chemistry 143, pages 107027.
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Wei-Bin Yan, Wen-Xuan Li, Yue Zhang, Lu Yu, Yu-Lun Li, Yong-Jun Liu, Gui-Ge Hou, Qing-Guo Meng, Li-Ying Ma & Zi-Kai Geng. (2024) Treatment of rheumatoid arthritis with dissymmetric fluorine and pyridyl-substituted 3,5-bis(aryl)-4-piperidone derivatives by inhibition of NF-κB and MAPK activation. Arabian Journal of Chemistry 17:2, pages 105528.
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Marwa A. Abdelwahab, Ahmed Nabil, Hamza El-Hosainy, Rafat Tahway & Marwa S. Taha. (2024) Green synthesis of silver nanoparticles using curcumin: A comparative study of antimicrobial and antibiofilm effects on Acinetobacter baumannii against chemical conventional methods. Results in Chemistry 7, pages 101274.
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Eslam M. Abbass, Ahmed A. Al-Karmalawy, Marwa Sharaky, Muhammad Khattab, Abdullah Yahya Abdullah Alzahrani & Aya I. Hassaballah. (2024) Rational design and eco-friendly one-pot multicomponent synthesis of novel ethylidenehydrazineylthiazol-4(5H)-ones as potential apoptotic inducers targeting wild and mutant EGFR-TK in triple negative breast cancer. Bioorganic Chemistry 142, pages 106936.
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Moataz A. Shaldam, Ahmed F. Khalil, Hadia Almahli, Maiy Y. Jaballah, Andrea Angeli, Eman F. Khaleel, Rehab Mustafa Badi, Eslam B. Elkaeed, Claudiu T. Supuran, Wagdy M. Eldehna & Haytham O. Tawfik. (2023) Identification of 3‐(5‐cyano‐6‐oxo‐pyridin‐2‐yl)benzenesulfonamides as novel anticancer agents endowed with EGFR inhibitory activity. Archiv der Pharmazie 357:1.
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Ahmed A. Al-Karmalawy, Mahmoud Rashed, Marwa Sharaky, Hamada S. Abulkhair, Mohamed M. Hammouda, Haytham O. Tawfik & Moataz A. Shaldam. (2023) Novel fused imidazotriazines acting as promising top. II inhibitors and apoptotic inducers with greater selectivity against head and neck tumors: Design, synthesis, and biological assessments. European Journal of Medicinal Chemistry 259, pages 115661.
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Ivan N. Bardasov, Anastasiya U. Alekseeva, Saveliy P. Sorokin, Maria A. Shishlikova & Oleg V. Ershov. (2023) Simple and Efficient Synthesis of Highly Functional 2-Oxonicotino­nitriles from 2-Chloronicotinonitriles. Synlett.
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Ayman Abo Elmaaty, Ahmed A. Al‐Karmalawy, Mohamed S. Nafie, Marium M. Shamaa, Islam Zaki, Radwan Alnajjar & Mohamed Y. Zakaria. (2023) Experimental design of D-α-tocopherol polyethylene glycol 1000 succinate stabilized bile salt based Nano-vesicles for improved cytotoxicity and bioavailability of colchicine binding site inhibitor Candidates: In Vitro, in silico, and pharmacokinetic studies. International Journal of Pharmaceutics 640, pages 122980.
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Samia M. Al-Muntaser, Ahmed A. Al-Karmalawy, Abeer M. El-Naggar, Ali Khalil Ali, Nour E. A. Abd El-Sattar & Eslam M. Abbass. (2023) Novel 4-thiophenyl-pyrazole, pyridine, and pyrimidine derivatives as potential antitumor candidates targeting both EGFR and VEGFR-2; design, synthesis, biological evaluations, and in silico studies . RSC Advances 13:18, pages 12184-12203.
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Tarfah Al-Warhi, Hadia Almahli, Raed M. Maklad, Zainab M. Elsayed, Mahmoud A. El Hassab, Ohoud J. Alotaibi, Nada Aljaeed, Rezk R. Ayyad, Hazem A. Ghabour, Wagdy M. Eldehna & Mohamed K. El-Ashrey. (2023) 1-Benzyl-5-bromo-3-hydrazonoindolin-2-ones as Novel Anticancer Agents: Synthesis, Biological Evaluation and Molecular Modeling Insights. Molecules 28:7, pages 3203.
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